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HIT220913665
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HIT220913665
  • HIT ID:HIT220913665
  • Cas No:
  • 常用名:MSI-1436 lactate
  • 别名:Trodusquemine lactate, Aminosterol-1436 lactate
    别名:Trodusquemine lactate, Aminosterol-1436 lactate
  • IUPAC:tris(2-hydroxypropanoic acid); {[(3R,6R)-6-[(1R,3aS,3bR,4R,5aR,7S,9aS,9bS,11aR)-7-{[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]amino}-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-methylheptan-3-yl]oxy}sulfonic acid
    IUPAC:tris(2-hydroxypropanoic acid); {[(3R,6R)-6-[(1R,3aS,3bR,4R,5aR,7S,9aS,9bS,11aR)-7-{[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]amino}-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-methylheptan-3-yl]oxy}sulfonic acid
  • InChI key:InChIKey=SJLWFFBNRGMCMF-YPRMBGODSA-N
  • 分子式:C46H90N4O14S
  • 分子量:955.3
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(O)C(O)=O.CC(O)C(O)=O.CC(O)C(O)=O.[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C
    SMILES:CC(O)C(O)=O.CC(O)C(O)=O.CC(O)C(O)=O.[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C
  • MSI-1436 lactate is a selective, non-competitive the enzyme protein-tyrosine phosphatase 1B (PTB1B)inhibitor(IC50 of appr 1 μM)
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    纯度
    -
    ¥ 10,800.00
    1

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